@<TRIPOS>MOLECULE
76964668
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5736    -0.6847    -0.6351	S	1	noname	-0.0362
2	O1    -1.0667    -0.4118     2.5820	O.3	1	noname	-0.2521
3	O2    -1.0054    -2.3455    -0.6881	O.3	1	noname	-0.1469
4	O3     0.8606    -0.0425     4.4266	O.3	1	noname	-0.2753
5	O4    -1.9381     0.1653    -0.6415	O.2	1	noname	-0.1661
6	O5     0.1446    -0.2525    -2.0043	O.2	1	noname	-0.1661
7	C1     0.6198    -0.5189     0.7251	C.2	1	noname	0.0457
8	C2     2.0314    -0.6857     0.4533	C.2	1	noname	0.0180
9	C3     0.2307    -0.3459     2.1077	C.2	1	noname	0.0934
10	C4     2.9913    -0.5980     1.4989	C.2	1	noname	-0.0458
11	C5     1.2249    -0.2371     3.1254	C.2	1	noname	0.0352
12	C6     2.5904    -0.3678     2.8231	C.2	1	noname	0.0088
13	C7     2.6437    -0.9845    -0.8692	C.3	1	noname	0.0158
14	C8    -1.9257     0.6656     2.2203	C.3	1	noname	0.0425
15	H1     4.0038    -0.6885     1.3241	H	1	noname	0.0626
16	H2     3.2960    -0.3095     3.5725	H	1	noname	0.0651
17	H3     2.2554    -1.9316    -1.2437	H	1	noname	0.0280
18	H4     2.3982    -0.1880    -1.5716	H	1	noname	0.0280
19	H5     3.7262    -1.0529    -0.7612	H	1	noname	0.0280
20	H6    -2.9141     0.5022     2.6498	H	1	noname	0.0535
21	H7    -2.0056     0.7179     1.1345	H	1	noname	0.0535
22	H8    -1.5148     1.6011     2.5999	H	1	noname	0.0535
23	H9     1.6633     0.0087     4.9864	H	1	noname	0.2183
24	H10    -1.0822    -2.6335    -1.6216	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	5	2
3	1	6	2
4	1	7	1
5	2	9	1
6	2	14	1
7	3	24	1
8	4	11	1
9	4	23	1
10	7	8	2
11	7	9	1
12	8	10	1
13	8	13	1
14	9	11	2
15	10	12	2
16	10	15	1
17	11	12	1
18	12	16	1
19	13	17	1
20	13	18	1
21	13	19	1
22	14	20	1
23	14	21	1
24	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1